[(4aS,8aR)-4,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran-2-yl]-tributylstannane

C20H38O2Sn — CID 10993674

IUPAC[(4aS,8aR)-4,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran-2-yl]-tributylstannane
SMILESCCCC[Sn](CCCC)(CCCC)C1=CC[C@@H]2OCCC[C@H]2O1
InChIInChI=1S/C8H11O2.3C4H9.Sn/c1-3-7-8(9-5-1)4-2-6-10-7;3*1-3-4-2;/h1,7-8H,2-4,6H2;3*1,3-4H2,2H3;/t7-,8+;;;;/m0..../s1
InChIKeyOPHQWCSGRGLGEJ-JWQBCWJNSA-N
MW429.23 g/mol
LogP6.23
Rot. Bonds10

About [(4aS,8aR)-4,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran-2-yl]-tributylstannane

[(4aS,8aR)-4,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran-2-yl]-tributylstannane (PubChem CID 10993674) has the molecular formula C20H38O2Sn and a molecular weight of 429.23 g/mol. Its IUPAC name is [(4aS,8aR)-4,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran-2-yl]-tributylstannane.

Molecular Properties

Compound Name[(4aS,8aR)-4,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran-2-yl]-tributylstannane
PubChem CID10993674
Molecular FormulaC20H38O2Sn
Molecular Weight429.23 g/mol
Exact Mass430.19
IUPAC Name[(4aS,8aR)-4,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran-2-yl]-tributylstannane
SMILESCCCC[Sn](CCCC)(CCCC)C1=CC[C@@H]2OCCC[C@H]2O1
InChIInChI=1S/C8H11O2.3C4H9.Sn/c1-3-7-8(9-5-1)4-2-6-10-7;3*1-3-4-2;/h1,7-8H,2-4,6H2;3*1,3-4H2,2H3;/t7-,8+;;;;/m0..../s1
InChIKeyOPHQWCSGRGLGEJ-JWQBCWJNSA-N
XLogP6.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.23
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [(4aS,8aR)-4,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran-2-yl]-tributylstannane with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(4aS,8aR)-4,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran-2-yl]-tributylstannane?
The IUPAC name of [(4aS,8aR)-4,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran-2-yl]-tributylstannane (CID 10993674) is [(4aS,8aR)-4,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran-2-yl]-tributylstannane.
What is the SMILES notation for [(4aS,8aR)-4,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran-2-yl]-tributylstannane?
The canonical SMILES for [(4aS,8aR)-4,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran-2-yl]-tributylstannane is CCCC[Sn](CCCC)(CCCC)C1=CC[C@@H]2OCCC[C@H]2O1.
What is the InChIKey of [(4aS,8aR)-4,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran-2-yl]-tributylstannane?
The InChIKey is OPHQWCSGRGLGEJ-JWQBCWJNSA-N. The full InChI is InChI=1S/C8H11O2.3C4H9.Sn/c1-3-7-8(9-5-1)4-2-6-10-7;3*1-3-4-2;/h1,7-8H,2-4,6H2;3*1,3-4H2,2H3;/t7-,8+;;;;/m0..../s1.
What are the key properties of [(4aS,8aR)-4,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran-2-yl]-tributylstannane?
[(4aS,8aR)-4,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran-2-yl]-tributylstannane has a molecular weight of 429.23 g/mol, XLogP of 6.23, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aS,8aR)-4,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran-2-yl]-tributylstannane is sourced from PubChem (CID 10993674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).